1-(5-fluoro-2-methylphenyl)-N-methyl-4-phenoxybutan-2-amine

C18H22FNO — CID 105373609

IUPAC1-(5-fluoro-2-methylphenyl)-N-methyl-4-phenoxybutan-2-amine
SMILESCNC(CCOc1ccccc1)Cc1cc(F)ccc1C
InChIInChI=1S/C18H22FNO/c1-14-8-9-16(19)12-15(14)13-17(20-2)10-11-21-18-6-4-3-5-7-18/h3-9,12,17,20H,10-11,13H2,1-2H3
InChIKeyAYQOSDUVFSGFMG-UHFFFAOYSA-N
MW287.38 g/mol
LogP3.73
Rot. Bonds7

About 1-(5-fluoro-2-methylphenyl)-N-methyl-4-phenoxybutan-2-amine

1-(5-fluoro-2-methylphenyl)-N-methyl-4-phenoxybutan-2-amine (PubChem CID 105373609) has the molecular formula C18H22FNO and a molecular weight of 287.38 g/mol. Its IUPAC name is 1-(5-fluoro-2-methylphenyl)-N-methyl-4-phenoxybutan-2-amine.

Molecular Properties

Compound Name1-(5-fluoro-2-methylphenyl)-N-methyl-4-phenoxybutan-2-amine
PubChem CID105373609
Molecular FormulaC18H22FNO
Molecular Weight287.38 g/mol
Exact Mass287.17
IUPAC Name1-(5-fluoro-2-methylphenyl)-N-methyl-4-phenoxybutan-2-amine
SMILESCNC(CCOc1ccccc1)Cc1cc(F)ccc1C
InChIInChI=1S/C18H22FNO/c1-14-8-9-16(19)12-15(14)13-17(20-2)10-11-21-18-6-4-3-5-7-18/h3-9,12,17,20H,10-11,13H2,1-2H3
InChIKeyAYQOSDUVFSGFMG-UHFFFAOYSA-N
XLogP3.73
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromo-4-fluorophenyl)-N-methyl-4-phenoxybutan-2-amine
CID 62608478
1-(5-fluoro-2-methylphenyl)-N-methyl-3-phenylpropan-2-amine
CID 105373668
1-(3-chloro-2-fluorophenyl)-N-methyl-4-phenoxybutan-2-amine
CID 102857502
1-(5-fluoro-2-methylphenyl)-N-methyldecan-2-amine
CID 105377260
N,5-dimethyl-1-phenoxyhexan-3-amine
CID 60799426
1-(5-fluoro-2-methylphenyl)-3-phenoxypropan-1-amine
CID 55134645
1-(5-fluoro-2-methylphenyl)-4-(3-methylphenoxy)butan-2-ol
CID 105377568
1-(5-fluoro-2-methylphenyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-2-amine
CID 103216517
1-(2,3-dihydro-1H-inden-2-yl)-2-(5-fluoro-2-methylphenyl)-N-methylethanamine
CID 105374018
N-methyl-1-phenoxy-5-phenylpentan-3-amine
CID 60798158
4-fluoro-2-methyl-N-(2-phenoxyethyl)aniline
CID 54939816
5-ethoxy-1-(4-fluoro-2-methylphenyl)-N-methylpentan-2-amine
CID 105188238

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methylphenyl)-N-methyl-4-phenoxybutan-2-amine?
The IUPAC name of 1-(5-fluoro-2-methylphenyl)-N-methyl-4-phenoxybutan-2-amine (CID 105373609) is 1-(5-fluoro-2-methylphenyl)-N-methyl-4-phenoxybutan-2-amine.
What is the SMILES notation for 1-(5-fluoro-2-methylphenyl)-N-methyl-4-phenoxybutan-2-amine?
The canonical SMILES for 1-(5-fluoro-2-methylphenyl)-N-methyl-4-phenoxybutan-2-amine is CNC(CCOc1ccccc1)Cc1cc(F)ccc1C.
What is the InChIKey of 1-(5-fluoro-2-methylphenyl)-N-methyl-4-phenoxybutan-2-amine?
The InChIKey is AYQOSDUVFSGFMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO/c1-14-8-9-16(19)12-15(14)13-17(20-2)10-11-21-18-6-4-3-5-7-18/h3-9,12,17,20H,10-11,13H2,1-2H3.
What are the key properties of 1-(5-fluoro-2-methylphenyl)-N-methyl-4-phenoxybutan-2-amine?
1-(5-fluoro-2-methylphenyl)-N-methyl-4-phenoxybutan-2-amine has a molecular weight of 287.38 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-methylphenyl)-N-methyl-4-phenoxybutan-2-amine is sourced from PubChem (CID 105373609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).